Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 5/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.33 |
| ▸ | BRAF | P15056 | 3/20 | 0.33 |
| ▸ | PDE4A | P27815 | 3/20 | 0.33 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.33 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.33 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3414240 | 0.93 | BRAF (0.37) | ADORA2AADORA1BRAFPDE4APDE4B | |
| SCHEMBL3409389 | 0.92 | ADORA2A (0.35) | ADORA2AADORA1BRAFPDE4APDE4B | |
| SCHEMBL1176618 | 0.89 | BRAF (0.44) | BRAFPDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3409496 | 0.87 | BRAF (0.40) | ADORA2AADORA1BRAFPDE4APDE4B | |
| SCHEMBL3414093 | 0.87 | ADORA2A (0.36) | ADORA2AADORA1BRAFPDE4APDE4B | |
| SCHEMBL3655949 | 0.82 | ALDH1A1 (0.34) | ADORA2AADORA1LIMK1MEN1ALDH1A1 | |
| SCHEMBL3409081 | 0.81 | ADORA2A (0.36) | ADORA2AADORA1BRAFPDE4APDE4B | |
| SCHEMBL3407516 | 0.81 | FGFR1 (0.35) | ADORA2AADORA1BRAFPDE4APDE4B | |
| SCHEMBL3406840 | 0.81 | LIMK1 (0.42) | ADORA2AADORA1BRAFPDE4APDE4B | |
| SCHEMBL1176524 | 0.80 | BRAF (0.50) | BRAFPDE4APDE4BPDE4CPDE4D |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2260044-A2 | THIENOPYRIMIDINES | Merck Patent GmbH (DE) | 2010-12-15 | — | — | EP | claimed |
| WO-2009124653-A2 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 2009-10-15 | — | — | WO | claimed |
| EP-2260044-A2 | THIENOPYRIMIDINES | Merck Patent GmbH (DE) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009124653-A2 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 2009-10-15 | — | — | WO | disclosed |